CID 66620

88-52-8

Structural Information

Molecular Formula
C7H10N2O3S
SMILES
CC1=CC(=C(C=C1N)N)S(=O)(=O)O
InChI
InChI=1S/C7H10N2O3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,8-9H2,1H3,(H,10,11,12)
InChIKey
XAQCYASNAMYTQA-UHFFFAOYSA-N
Compound name
2,4-diamino-5-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1237
Patents

202.04121 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04849 139.3
[M+Na]+ 225.03043 148.5
[M-H]- 201.03393 141.6
[M+NH4]+ 220.07503 157.5
[M+K]+ 241.00437 144.7
[M+H-H2O]+ 185.03847 133.8
[M+HCOO]- 247.03941 157.5
[M+CH3COO]- 261.05506 183.9
[M+Na-2H]- 223.01588 142.2
[M]+ 202.04066 138.5
[M]- 202.04176 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe